CID 6489229

1153150-99-2

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

C1CN(CCN1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C12H17N3O/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,16)

InChIKey

YBTIOCICPPSYEP-UHFFFAOYSA-N

Compound name

N-benzylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 45
Patents: 219.13716 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.144436	150.9
[M+Na]+	242.126378	154.1
[M-H]-	218.129884	152.1
[M+NH4]+	237.170983	164.8
[M+K]+	258.100318	150.4
[M+H-H2O]+	202.134420	141.9
[M+HCOO]-	264.135361	167.9
[M+CH3COO]-	278.151011	185.5
[M+Na-2H]-	240.111826	155.9
[M]+	219.13661142	143.3
[M]-	219.13770858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe